2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone

C15H10ClF3N2O4S2 — CID 157055828

IUPAC2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
SMILESCOc1ccc(Cl)c(S(=O)(=O)CC(=O)c2cn3cc(C(F)(F)F)sc3n2)c1
InChIInChI=1S/C15H10ClF3N2O4S2/c1-25-8-2-3-9(16)12(4-8)27(23,24)7-11(22)10-5-21-6-13(15(17,18)19)26-14(21)20-10/h2-6H,7H2,1H3
InChIKeyMMASFVMJFXPYAK-UHFFFAOYSA-N
MW438.84 g/mol
LogP3.73
Rot. Bonds5

About 2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone

2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone (PubChem CID 157055828) has the molecular formula C15H10ClF3N2O4S2 and a molecular weight of 438.84 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
PubChem CID157055828
Molecular FormulaC15H10ClF3N2O4S2
Molecular Weight438.84 g/mol
Exact Mass437.97
IUPAC Name2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
SMILESCOc1ccc(Cl)c(S(=O)(=O)CC(=O)c2cn3cc(C(F)(F)F)sc3n2)c1
InChIInChI=1S/C15H10ClF3N2O4S2/c1-25-8-2-3-9(16)12(4-8)27(23,24)7-11(22)10-5-21-6-13(15(17,18)19)26-14(21)20-10/h2-6H,7H2,1H3
InChIKeyMMASFVMJFXPYAK-UHFFFAOYSA-N
XLogP3.73
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
The IUPAC name of 2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone (CID 157055828) is 2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
The canonical SMILES for 2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone is COc1ccc(Cl)c(S(=O)(=O)CC(=O)c2cn3cc(C(F)(F)F)sc3n2)c1.
What is the InChIKey of 2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
The InChIKey is MMASFVMJFXPYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O4S2/c1-25-8-2-3-9(16)12(4-8)27(23,24)7-11(22)10-5-21-6-13(15(17,18)19)26-14(21)20-10/h2-6H,7H2,1H3.
What are the key properties of 2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone?
2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone has a molecular weight of 438.84 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone is sourced from PubChem (CID 157055828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).